2-[6-(isoquinolin-1-ylsulfonylamino)-5-oxidanylidene-thiepan-4-yl]-N-(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)propanamide

Systemtic Name: 2-[6-(isoquinolin-1-ylsulfonylamino)-5-oxidanylidene-thiepan-4-yl]-N-(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)propanamide Openeye Name: N-(2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-2-[6-(1-isoquinolylsulfonylamino)-5-oxo-thiepan-4-yl]propanamide CAS Name: N-(2-hydroxy-5-oxo-3-oxolanyl)-2-[6-(1-isoquinolinylsulfonylamino)-5-oxo-4-thiepanyl]propanamide IUPAC Name: N-(2-hydroxy-5-oxooxolan-3-yl)-2-[6-(isoquinolin-1-ylsulfonylamino)-5-oxothiepan-4-yl]propanamide Traditional Name: N-(2-hydroxy-5-keto-tetrahydrofuran-3-yl)-2-[6-(1-isoquinolylsulfonylamino)-5-keto-thiepan-4-yl]propionamide Formula: C22H25N3O7S2 MolecularWeight: 507.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCSCC(C1=O)NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C(=O)NC4CC(=O)OC4O

Isomeric SMILES

CC(C1CCSCC(C1=O)NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C(=O)NC4CC(=O)OC4O

InChI

InChI=1S/C22H25N3O7S2/c1-12(20(28)24-16-10-18(26)32-22(16)29)14-7-9-33-11-17(19(14)27)25-34(30,31)21-15-5-3-2-4-13(15)6-8-23-21/h2-6,8,12,14,16-17,22,25,29H,7,9-11H2,1H3,(H,24,28)